6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione

C14H10BrNO2S — CID 63774946

IUPAC6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2cccs2)c2cc(Br)ccc21
InChIInChI=1S/C14H10BrNO2S/c15-9-3-4-11-12(8-9)16(14(18)13(11)17)6-5-10-2-1-7-19-10/h1-4,7-8H,5-6H2
InChIKeyWVNFXLDWBCJAJU-UHFFFAOYSA-N
MW336.21 g/mol
LogP3.28
Rot. Bonds3

About 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione

6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione (PubChem CID 63774946) has the molecular formula C14H10BrNO2S and a molecular weight of 336.21 g/mol. Its IUPAC name is 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione.

Molecular Properties

Compound Name6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione
PubChem CID63774946
Molecular FormulaC14H10BrNO2S
Molecular Weight336.21 g/mol
Exact Mass334.96
IUPAC Name6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CCc2cccs2)c2cc(Br)ccc21
InChIInChI=1S/C14H10BrNO2S/c15-9-3-4-11-12(8-9)16(14(18)13(11)17)6-5-10-2-1-7-19-10/h1-4,7-8H,5-6H2
InChIKeyWVNFXLDWBCJAJU-UHFFFAOYSA-N
XLogP3.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione?
The IUPAC name of 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione (CID 63774946) is 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione.
What is the SMILES notation for 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione?
The canonical SMILES for 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione is O=C1C(=O)N(CCc2cccs2)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione?
The InChIKey is WVNFXLDWBCJAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2S/c15-9-3-4-11-12(8-9)16(14(18)13(11)17)6-5-10-2-1-7-19-10/h1-4,7-8H,5-6H2.
What are the key properties of 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione?
6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione has a molecular weight of 336.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2-thiophen-2-ylethyl)indole-2,3-dione is sourced from PubChem (CID 63774946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).